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Home > Imidazoles > 142279-83-2
142279-83-2 | Ethanone, 1-(hexahydro-1H-azepin-1-yl)-2-(1H-imidazol-1-yl)-
CAS No: 142279-83-2 Catalog No: AG001I4K MDL No:
Product Description
Catalog Number:
AG001I4K
Chemical Name:
Ethanone, 1-(hexahydro-1H-azepin-1-yl)-2-(1H-imidazol-1-yl)-
CAS Number:
142279-83-2
Molecular Formula:
C11H17N3O
Molecular Weight:
207.2722
IUPAC Name:
1-(azepan-1-yl)-2-imidazol-1-ylethanone
InChI:
InChI=1S/C11H17N3O/c15-11(9-13-8-5-12-10-13)14-6-3-1-2-4-7-14/h5,8,10H,1-4,6-7,9H2
InChI Key:
SRLODCIZTRKINX-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCCC1)Cn1cncc1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.137g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.277g/mol
Monoisotopic Mass:
207.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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